Developing the Low-Temperature Oxidation Mechanism of Cyclopentane: An Experimental and Theoretical Study

At present, the reactivity of cyclic alkanes is estimated by comparison with acyclic hydrocarbons. Due to the difference in the structure of cycloalkanes and acycloalkanes, the thermodynamic data obtained by analogy are not applicable. In this study, a molecular beam sampling vacuum ultraviolet photoionization time-of-flight mass spectrometer (MB-VUV-PI-TOFMS) was applied to study the low-temperature oxidation of cyclopentane (CPT) at a total pressure range from 1–3 atm and low-temperature range between 500 and 800 K. Low-temperature reaction products including cyclic olefins, cyclic ethers, and highly oxygenated intermediates (e. g., ketohydroperoxide KHP, keto-dihydroperoxide KDHP, olefinic hydroperoxides OHP and ketone structure products) were observed. Further investigation of the oxidation of CPT – electronic structure calculations – were carried out at the UCCSD(T)-F12a/aug-cc-pVDZ//B3LYP/6-31+ G(d,p) level to explore the reactivity of O₂ molecules adding sequentially to cyclopentyl radicals. Experimental and theoretical observations showed that the dominant product channel in the reaction of CPT radicals with O₂ is HO₂ elimination yielding cyclopentene. The pathways of second and third O₂ addition – the dissociation of hydroperoxide – were further confirmed. The results of this study will develop the low-temperature oxidation mechanism of CPT, which can be used for future research on accurately simulating the combustion process of CPT.     

Auto-deposition of 210Bi and 210Po on nickel discs and their application in the analysis of natural waters

Journal of Radioanalytical and Nuclear Chemistry - This study presents a time-efficient method of analysing 210Pb, 210Bi, and 210Po in natural waters. The optimum pH (1.00), temperature...     

基于快速神经网络架构搜索的鲁棒图像水印网络算法

为解决深度学习在图像水印算法中计算量大且模型冗余的问题，提高图像水印算法在抵抗噪声、旋转和剪裁等攻击时的鲁棒性，提出基于快速神经网络架构搜索（neural architecture search，NAS）的鲁棒图像水印网络算法。通过多项式分布学习快速神经网络架构搜索算法，在预设的搜索空间中搜索最优网络结构，进行图像水印的高效嵌入与鲁棒提取。首先，将子网络中线性连接的全卷积层设置为独立的神经单元结构，并参数化表示结构单元内节点的连接，预先设定结构单元内每个神经元操作的搜索空间；其次，在完成一个批次的数据集训练后，依据神经元操作中的被采样次数和平均损失函数值动态更新概率；最后，重新训练搜索完成的网络。水印网络模型的参数量较原始网络模型缩减了92%以上，大大缩短了模型训练时间。由于搜索得到的网络结构更为紧凑，本文算法具有较高的时间性能和较好的实验效果，在隐藏图像时，对空域信息的依赖比原始网络更少。对改进前后的2个网络进行了大量鲁棒性实验，对比发现，本文算法在CIFAR-10数据集上对抵抗椒盐噪声和旋转、移除像素行（列）等攻击优势显著；在ImageNet数据集上对抵抗椒盐高斯噪声、旋转、中值滤波、高斯滤波、JPEG压缩、裁剪等攻击优势显著，特别是对随机移除行（列）和椒盐噪声有较强的鲁棒性。     

High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

Phase transition and scaling in Kuramoto model with high-order coupling

Nonlinear Dynamics - The classical Kuramoto model serves as a useful tool for studying synchronization transitions in coupled oscillators that is limited to the sinusoidal and pairwise...     

Fully Piecewise Linear Vector Optimization Problems

Journal of Optimization Theory and Applications - We distinguish two kinds of piecewise linear functions and provide an interesting representation for a piecewise linear function between two normed...     

Photoelectrochemical Cytosensors

Photoelectrochemical (PEC) cytosensors, a combination of the PEC process and the living-cell assay, have emerged as a powerful tool in the analytical and biological science. This mini review provides a brief introduction of this arena and summaries the key steps about the development of PEC cytosensors with representative examples, followed by future prospects based on our own opinions.     

Understanding the solubility and crystallization of molybdenum in high-sodium borosilicate glasses: effect of lanthanum oxide

Journal of Radioanalytical and Nuclear Chemistry - The simplified 8-oxide system (SiO2-B2O3-Na2O-Al2O3-CaO-TiO2-MoO3-La2O3) has been prepared under two types of cooling methods, and analyzed with...     

A New Quassinoid from Brucea javanica

Chemistry of Natural Compounds - A new quassinoid, dehydrobruceantinol B (1), was isolated from the seeds of Brucea javanica, together with two known compounds, bruceantinol (2) and bruceine A (3)....